N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine

C15H24N6O3 — CID 123454057

IUPACN-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine
SMILESCCC(C)=NOc1nc(ON=C(C)CC)nc(ON=C(C)CC)n1
InChIInChI=1S/C15H24N6O3/c1-7-10(4)19-22-13-16-14(23-20-11(5)8-2)18-15(17-13)24-21-12(6)9-3/h7-9H2,1-6H3
InChIKeyWFDIOOHUQRPALZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.37
Rot. Bonds9

About N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine

N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine (PubChem CID 123454057) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine.

Molecular Properties

Compound NameN-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine
PubChem CID123454057
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC NameN-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine
SMILESCCC(C)=NOc1nc(ON=C(C)CC)nc(ON=C(C)CC)n1
InChIInChI=1S/C15H24N6O3/c1-7-10(4)19-22-13-16-14(23-20-11(5)8-2)18-15(17-13)24-21-12(6)9-3/h7-9H2,1-6H3
InChIKeyWFDIOOHUQRPALZ-UHFFFAOYSA-N
XLogP3.37
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine?
The IUPAC name of N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine (CID 123454057) is N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine.
What is the SMILES notation for N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine?
The canonical SMILES for N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine is CCC(C)=NOc1nc(ON=C(C)CC)nc(ON=C(C)CC)n1.
What is the InChIKey of N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine?
The InChIKey is WFDIOOHUQRPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-7-10(4)19-22-13-16-14(23-20-11(5)8-2)18-15(17-13)24-21-12(6)9-3/h7-9H2,1-6H3.
What are the key properties of N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine?
N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine has a molecular weight of 336.40 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine is sourced from PubChem (CID 123454057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).